7-fluoro-6-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one

C17H21FN2O4 — CID 128983155

IUPAC7-fluoro-6-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCOC[C@@H]1C[C@@H](OC)CN1C(=O)c1cc2c(cc1F)NC(=O)CC2
InChIInChI=1S/C17H21FN2O4/c1-23-9-11-6-12(24-2)8-20(11)17(22)13-5-10-3-4-16(21)19-15(10)7-14(13)18/h5,7,11-12H,3-4,6,8-9H2,1-2H3,(H,19,21)/t11-,12+/m0/s1
InChIKeyJYBVHHXWKMWKIW-NWDGAFQWSA-N
MW336.36 g/mol
LogP1.59
Rot. Bonds4

About 7-fluoro-6-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one

7-fluoro-6-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one (PubChem CID 128983155) has the molecular formula C17H21FN2O4 and a molecular weight of 336.36 g/mol. Its IUPAC name is 7-fluoro-6-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name7-fluoro-6-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
PubChem CID128983155
Molecular FormulaC17H21FN2O4
Molecular Weight336.36 g/mol
Exact Mass336.15
IUPAC Name7-fluoro-6-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
SMILESCOC[C@@H]1C[C@@H](OC)CN1C(=O)c1cc2c(cc1F)NC(=O)CC2
InChIInChI=1S/C17H21FN2O4/c1-23-9-11-6-12(24-2)8-20(11)17(22)13-5-10-3-4-16(21)19-15(10)7-14(13)18/h5,7,11-12H,3-4,6,8-9H2,1-2H3,(H,19,21)/t11-,12+/m0/s1
InChIKeyJYBVHHXWKMWKIW-NWDGAFQWSA-N
XLogP1.59
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.36
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-fluoro-6-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one with MolForge

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Related Compounds

6-[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one
CID 154738912
[(2S,4R)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]-(2,4,5-trifluorophenyl)methanone
CID 128971128
1-(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)-6-methylpiperidine-3-carboxylic acid
CID 122113130
6-[2-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-dihydroindol-2-one
CID 128983181
6-[2-[(2S,4S)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]-2-oxoethyl]-1,3-dihydroindol-2-one
CID 128984479
(2-fluoro-4-pyrimidin-5-ylphenyl)-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 128983154
3-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
CID 128983177
7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-6-carboxylic acid
CID 43453281
(3,5-dimethyl-1H-pyrrol-2-yl)-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 128983104
6-(2,2-dimethylpropanoyl)-7-fluoro-3,4-dihydro-1H-quinolin-2-one
CID 43457528
[2-fluoro-4-(4-fluorophenyl)phenyl]-[(2S,4S)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]methanone
CID 128985164
7-fluoro-6-(3-methylbutanoyl)-3,4-dihydro-1H-quinolin-2-one
CID 43457554

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-6-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 7-fluoro-6-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one (CID 128983155) is 7-fluoro-6-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 7-fluoro-6-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 7-fluoro-6-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one is COC[C@@H]1C[C@@H](OC)CN1C(=O)c1cc2c(cc1F)NC(=O)CC2.
What is the InChIKey of 7-fluoro-6-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is JYBVHHXWKMWKIW-NWDGAFQWSA-N. The full InChI is InChI=1S/C17H21FN2O4/c1-23-9-11-6-12(24-2)8-20(11)17(22)13-5-10-3-4-16(21)19-15(10)7-14(13)18/h5,7,11-12H,3-4,6,8-9H2,1-2H3,(H,19,21)/t11-,12+/m0/s1.
What are the key properties of 7-fluoro-6-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one?
7-fluoro-6-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 336.36 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-6-[(2S,4R)-4-methoxy-2-(methoxymethyl)pyrrolidine-1-carbonyl]-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 128983155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).